[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[[(1R,2S)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-[[(1R,2S)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C16H19ClN2O7 MolecularWeight: 386.78426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN2O7/c1-4-9(2)14(16(22)25-3)18-13(20)8-26-15(21)10-5-6-11(17)12(7-10)19(23)24/h5-7,9,14H,4,8H2,1-3H3,(H,18,20)/t9-,14+/m0/s1